| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 60.8 | Low | 79.3 | Confident | 232 Ų | 232 | 92.5 Ų | 92.5 | 100% | 1.143 | 59% | 0.589 | S | S | * | * | 0 | 47.8 | 0 | -61.6 | 169 | 81.3 | 0 | 0 | 111 | |||||
| 2 | T | 71.8 | Confident | 80.5 | Confident | 112 Ų | 112 | 92.8 Ų | 92.8 | 69% | 0.687 | 58% | 0.581 | S | S | * | * | trans | -121.4 | -15.1 | -171.8 | 45.5 | 0 | 0 | 0 | 0 | 113.6 | T5 | T2-T5 PolarHBondContact O-OG1 3.44Š| ||
| 3 | A | 69.5 | Low | 81.5 | Confident | 79 Ų | 79 | 94.1 Ų | 94.1 | 65% | 0.653 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.6 | -32.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | V7 | A3-V7 WeakPolarHBondContact O-CG2 3.35Å |
| 4 | G | 75.8 | Confident | 82.4 | Confident | 44 Ų | 44 | 91.4 Ų | 91.4 | 45% | 0.454 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.7 | -37 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V7 I8 | G4-V7 PolarHBondContact O-N 2.9Å; G4-I8 WeakPolarHBondContact O-CD1 3.34Å; G4-I8 WeakPolarHBondContact O-CG1 3.38Å; G4-I8 PolarHBondContact O-N 2.92Å; G4-I8 VanDerWaalsContact O-N 3.09Å |
| 5 | T | 77.1 | Confident | 83.1 | Confident | 82 Ų | 82 | 90.7 Ų | 90.7 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.3 | -38.3 | -176.2 | 52.6 | 0 | 0 | 0 | 0 | 112.1 | T2 V7 I8 T9 | T2-T5 PolarHBondContact O-OG1 3.44Å; T5-V7 VanDerWaalsContact C-N 3.32Å; T5-V7 PolarHBondContact O-N 2.87Å; T5-I8 PolarHBondContact O-N 3.21Å; T5-T9 WeakPolarHBondContact O-CG2 3.33Å; T5-T9 PolarHBondContact O-N 3.18Å; T5-T9 PolarHBondContact O-OG1 2.99Å |
| 6 | V | 82.1 | Confident | 83.9 | Confident | 100 Ų | 100 | 89.8 Ų | 89.8 | 61% | 0.606 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65 | -36.9 | 177.4 | 180 | 0 | 0 | 0 | 0 | 111.5 | T9 G10 | V6-T9 PolarHBondContact O-OG1 3.12Å; V6-G10 WeakPolarHBondContact O-CA 3.16Å; V6-G10 PolarHBondContact O-N 3.16Å |
| 7 | V | 84.3 | Confident | 84.6 | Confident | 111 Ų | 111 | 90.5 Ų | 90.5 | 67% | 0.673 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.4 | -40.9 | 175.7 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | A3 G4 T5 G11 | A3-V7 WeakPolarHBondContact O-CG2 3.35Å; G4-V7 PolarHBondContact O-N 2.9Å; T5-V7 VanDerWaalsContact C-N 3.32Å; T5-V7 PolarHBondContact O-N 2.87Å; V7-G11 PolarHBondContact O-N 3.26Å |
| 8 | I | 85.4 | Confident | 85.1 | Confident | 108 Ų | 108 | 91 Ų | 91 | 55% | 0.554 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.6 | -49.7 | 178.6 | -65.7 | 162.3 | 0 | 0 | 0 | 110.7 | G4 T5 G11 I12 | G4-I8 WeakPolarHBondContact O-CD1 3.34Å; G4-I8 WeakPolarHBondContact O-CG1 3.38Å; G4-I8 PolarHBondContact O-N 2.92Å; G4-I8 VanDerWaalsContact O-N 3.09Å; T5-I8 PolarHBondContact O-N 3.21Å; I8-G11 PolarHBondContact O-N 3.48Å; I8-I12 HydrophobicContact CG2-CD1 4.03Å; I8-I12 WeakPolarHBondContact O-CD1 3.39Å; I8-I12 VanDerWaalsContact O-CG1 3.26Å; I8-I12 WeakPolarHBondContact O-CG1 3.25Å; I8-I12 PolarHBondContact O-N 3.48Å |
| 9 | T | 86.9 | Confident | 85.5 | Confident | 79 Ų | 79 | 92 Ų | 92 | 49% | 0.485 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.7 | -39.6 | 179.1 | 56.8 | 0 | 0 | 0 | 0 | 111.9 | T5 V6 G11 I12 L13 | T5-T9 WeakPolarHBondContact O-CG2 3.33Å; T5-T9 PolarHBondContact O-N 3.18Å; T5-T9 PolarHBondContact O-OG1 2.99Å; V6-T9 PolarHBondContact O-OG1 3.12Å; T9-G11 VanDerWaalsContact C-N 3.35Å; T9-I12 PolarHBondContact O-N 3.12Å; T9-L13 WeakPolarHBondContact O-CB 3.3Å; T9-L13 VanDerWaalsContact O-CG 3.25Å; T9-L13 WeakPolarHBondContact O-CG 3.02Å; T9-L13 PolarHBondContact O-N 2.98Å |
| 10 | G | 88.6 | Confident | 85.9 | Confident | 35 Ų | 35 | 91.1 Ų | 91.1 | 36% | 0.361 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.3 | -38.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V6 L13 A14 | V6-G10 WeakPolarHBondContact O-CA 3.16Å; V6-G10 PolarHBondContact O-N 3.16Å; G10-L13 PolarHBondContact O-N 2.84Å; G10-A14 VanDerWaalsContact O-CB 3.26Å; G10-A14 WeakPolarHBondContact O-CB 3.41Å; G10-A14 PolarHBondContact O-N 3.07Å |
| 11 | G | 89.7 | Confident | 86.3 | Confident | 35 Ų | 35 | 91.2 Ų | 91.2 | 36% | 0.361 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.7 | -46 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V7 I8 T9 A14 T15 | V7-G11 PolarHBondContact O-N 3.26Å; I8-G11 PolarHBondContact O-N 3.48Å; T9-G11 VanDerWaalsContact C-N 3.35Å; G11-A14 PolarHBondContact O-N 3.14Å; G11-T15 WeakPolarHBondContact O-CG2 3.45Å; G11-T15 PolarHBondContact O-N 3.02Å; G11-T15 PolarHBondContact O-OG1 3.49Å |
| 12 | I | 93.9 | Very high | 87.8 | Confident | 97 Ų | 97 | 84.6 Ų | 84.6 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 177 | -64.1 | 162.4 | 0 | 0 | 0 | 110.9 | I8 T9 A14 T15 V16 | I8-I12 HydrophobicContact CG2-CD1 4.03Å; I8-I12 WeakPolarHBondContact O-CD1 3.39Å; I8-I12 VanDerWaalsContact O-CG1 3.26Å; I8-I12 WeakPolarHBondContact O-CG1 3.25Å; I8-I12 PolarHBondContact O-N 3.48Å; T9-I12 PolarHBondContact O-N 3.12Å; I12-A14 VanDerWaalsContact C-N 3.33Å; I12-A14 PolarHBondContact O-N 3.36Å; I12-T15 PolarHBondContact O-N 3Å; I12-T15 PolarHBondContact O-OG1 3.46Å; I12-V16 HydrophobicContact CG2-CG2 4.35Å; I12-V16 WeakPolarHBondContact O-CB 3.05Å; I12-V16 WeakPolarHBondContact O-CG2 3.07Å; I12-V16 PolarHBondContact O-N 3.42Å |
| 13 | L | 93.3 | Very high | 88.5 | Confident | 109 Ų | 109 | 82.1 Ų | 82.1 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.6 | -41.4 | 176.2 | -69.9 | 170.3 | 0 | 0 | 0 | 111.3 | T9 G10 V16 I17 | T9-L13 WeakPolarHBondContact O-CB 3.3Å; T9-L13 VanDerWaalsContact O-CG 3.25Å; T9-L13 WeakPolarHBondContact O-CG 3.02Å; T9-L13 PolarHBondContact O-N 2.98Å; G10-L13 PolarHBondContact O-N 2.84Å; L13-V16 PolarHBondContact O-N 2.08Å; L13-I17 WeakPolarHBondContact O-CB 3.17Å; L13-I17 WeakPolarHBondContact O-CD1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.36Å; L13-I17 PolarHBondContact O-N 2.65Å |
| 14 | A | 93.9 | Very high | 89.4 | Confident | 56 Ų | 56 | 82.4 Ų | 82.4 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G10 G11 I12 L18 | G10-A14 VanDerWaalsContact O-CB 3.26Å; G10-A14 WeakPolarHBondContact O-CB 3.41Å; G10-A14 PolarHBondContact O-N 3.07Å; G11-A14 PolarHBondContact O-N 3.14Å; I12-A14 VanDerWaalsContact C-N 3.33Å; I12-A14 PolarHBondContact O-N 3.36Å; A14-L18 VanDerWaalsContact O-CB 3.27Å; A14-L18 WeakPolarHBondContact O-CB 3.24Å; A14-L18 PolarHBondContact O-N 2.81Å |
| 15 | T | 93.8 | Very high | 89.9 | Confident | 81 Ų | 81 | 85.3 Ų | 85.3 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.9 | -41.4 | 177.1 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | G11 I12 L18 L19 | G11-T15 WeakPolarHBondContact O-CG2 3.45Å; G11-T15 PolarHBondContact O-N 3.02Å; G11-T15 PolarHBondContact O-OG1 3.49Å; I12-T15 PolarHBondContact O-N 3Å; I12-T15 PolarHBondContact O-OG1 3.46Å; T15-L18 PolarHBondContact O-N 3.06Å; T15-L19 WeakPolarHBondContact O-CB 3.36Å; T15-L19 VanDerWaalsContact O-CG 3.25Å; T15-L19 WeakPolarHBondContact O-CG 3.32Å; T15-L19 PolarHBondContact O-N 3.38Å |
| 16 | V | 96.2 | Very high | 90.3 | Very high | 76 Ų | 76 | 85 Ų | 85 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 176.2 | 171.9 | 0 | 0 | 0 | 0 | 111 | I12 L13 L18 L19 C20 | I12-V16 HydrophobicContact CG2-CG2 4.35Å; I12-V16 WeakPolarHBondContact O-CB 3.05Å; I12-V16 WeakPolarHBondContact O-CG2 3.07Å; I12-V16 PolarHBondContact O-N 3.42Å; L13-V16 PolarHBondContact O-N 2.08Å; V16-L18 PolarHBondContact O-N 3.32Å; V16-L19 PolarHBondContact O-N 3.2Å; V16-C20 WeakPolarHBondContact O-CB 3.41Å; V16-C20 PolarHBondContact O-N 3.37Å; V16-C20 PolarHBondContact O-SG 3.31Å; V16-C20 VanDerWaalsContact O-SG 3.41Å |
| 17 | I | 95.1 | Very high | 90.1 | Very high | 102 Ų | 102 | 86.9 Ų | 86.9 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 177.4 | -67.9 | 163.2 | 0 | 0 | 0 | 110.7 | L13 C20 I21 | L13-I17 WeakPolarHBondContact O-CB 3.17Å; L13-I17 WeakPolarHBondContact O-CD1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.36Å; L13-I17 PolarHBondContact O-N 2.65Å; I17-C20 PolarHBondContact O-N 3.02Å; I17-I21 HydrophobicContact CG2-CD1 3.87Å; I17-I21 VanDerWaalsContact O-CG1 3.3Å; I17-I21 WeakPolarHBondContact O-CG1 3.05Å; I17-I21 PolarHBondContact O-N 3.01Å |
| 18 | L | 93.9 | Very high | 89.9 | Confident | 100 Ų | 100 | 84.7 Ų | 84.7 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 178.8 | -175.3 | 148.6 | 0 | 0 | 0 | 111.6 | A14 T15 V16 I21 I22 | A14-L18 VanDerWaalsContact O-CB 3.27Å; A14-L18 WeakPolarHBondContact O-CB 3.24Å; A14-L18 PolarHBondContact O-N 2.81Å; T15-L18 PolarHBondContact O-N 3.06Å; V16-L18 PolarHBondContact O-N 3.32Å; L18-I21 PolarHBondContact O-N 2.93Å; L18-I22 HydrophobicContact CD2-CD1 3.43Å; L18-I22 VanDerWaalsContact CD2-CD1 3.43Å; L18-I22 HydrophobicContact CD2-CG1 4.28Å; L18-I22 HydrophobicContact CG-CD1 4.31Å; L18-I22 WeakPolarHBondContact O-CG1 3.48Å; L18-I22 PolarHBondContact O-N 3Å |
| 19 | L | 93.1 | Very high | 89.7 | Confident | 110 Ų | 110 | 86.6 Ų | 86.6 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.9 | -39.8 | 174.7 | -72.8 | 174.6 | 0 | 0 | 0 | 111.9 | T15 V16 I22 A23 | T15-L19 WeakPolarHBondContact O-CB 3.36Å; T15-L19 VanDerWaalsContact O-CG 3.25Å; T15-L19 WeakPolarHBondContact O-CG 3.32Å; T15-L19 PolarHBondContact O-N 3.38Å; V16-L19 PolarHBondContact O-N 3.2Å; L19-I22 PolarHBondContact O-N 3.46Å; L19-A23 WeakPolarHBondContact O-CB 3.47Å; L19-A23 PolarHBondContact O-N 3.1Å |
| 20 | C | 93.6 | Very high | 88.6 | Confident | 74 Ų | 74 | 87.3 Ų | 87.3 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 173.5 | -79.4 | 0 | 0 | 0 | 0 | 111.8 | V16 I17 A23 V24 | V16-C20 WeakPolarHBondContact O-CB 3.41Å; V16-C20 PolarHBondContact O-N 3.37Å; V16-C20 PolarHBondContact O-SG 3.31Å; V16-C20 VanDerWaalsContact O-SG 3.41Å; I17-C20 PolarHBondContact O-N 3.02Å; C20-A23 PolarHBondContact O-N 2.86Å; C20-V24 WeakPolarHBondContact O-CB 3.42Å; C20-V24 VanDerWaalsContact O-CG2 3.24Å; C20-V24 WeakPolarHBondContact O-CG2 3.32Å; C20-V24 PolarHBondContact O-N 3.11Å |
| 21 | I | 93.3 | Very high | 87.1 | Confident | 93 Ų | 93 | 89.6 Ų | 89.6 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 177.2 | -66.6 | 165.3 | 0 | 0 | 0 | 110.3 | I17 L18 V24 L25 | I17-I21 HydrophobicContact CG2-CD1 3.87Å; I17-I21 VanDerWaalsContact O-CG1 3.3Å; I17-I21 WeakPolarHBondContact O-CG1 3.05Å; I17-I21 PolarHBondContact O-N 3.01Å; L18-I21 PolarHBondContact O-N 2.93Å; I21-V24 PolarHBondContact O-N 3.21Å; I21-L25 HydrophobicContact CG2-CD1 3.77Å; I21-L25 HydrophobicContact CG2-CG 4.22Å; I21-L25 WeakPolarHBondContact O-CB 3.36Å; I21-L25 VanDerWaalsContact O-CG 3.23Å; I21-L25 WeakPolarHBondContact O-CG 3.34Å; I21-L25 PolarHBondContact O-N 2.82Å |
| 22 | I | 92.5 | Very high | 85.8 | Confident | 94 Ų | 94 | 94.8 Ų | 94.8 | 48% | 0.482 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 176.7 | -67.6 | 175.8 | 0 | 0 | 0 | 110.7 | L18 L19 L25 C26 | L18-I22 HydrophobicContact CD2-CD1 3.43Å; L18-I22 VanDerWaalsContact CD2-CD1 3.43Å; L18-I22 HydrophobicContact CD2-CG1 4.28Å; L18-I22 HydrophobicContact CG-CD1 4.31Å; L18-I22 WeakPolarHBondContact O-CG1 3.48Å; L18-I22 PolarHBondContact O-N 3Å; L19-I22 PolarHBondContact O-N 3.46Å; I22-L25 PolarHBondContact O-N 2.82Å; I22-C26 WeakPolarHBondContact O-CA 3.41Å; I22-C26 WeakPolarHBondContact O-CB 2.83Å; I22-C26 PolarHBondContact O-N 2.77Å |
| 23 | A | 86.1 | Confident | 83.7 | Confident | 59 Ų | 59 | 95.3 Ų | 95.3 | 49% | 0.488 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L19 C20 Y27 | L19-A23 WeakPolarHBondContact O-CB 3.47Å; L19-A23 PolarHBondContact O-N 3.1Å; C20-A23 PolarHBondContact O-N 2.86Å; A23-Y27 WeakPolarHBondContact O-CA 3.29Å; A23-Y27 WeakPolarHBondContact O-CB 3.15Å; A23-Y27 PolarHBondContact O-N 3.27Å |
| 24 | V | 88.9 | Confident | 81.8 | Confident | 85 Ų | 85 | 91.8 Ų | 91.8 | 52% | 0.515 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 175 | 171.8 | 0 | 0 | 0 | 0 | 111 | C20 I21 Y27 C28 | C20-V24 WeakPolarHBondContact O-CB 3.42Å; C20-V24 VanDerWaalsContact O-CG2 3.24Å; C20-V24 WeakPolarHBondContact O-CG2 3.32Å; C20-V24 PolarHBondContact O-N 3.11Å; I21-V24 PolarHBondContact O-N 3.21Å; V24-Y27 CarbonylContact O-C 3.59Å; V24-Y27 PolarHBondContact O-N 2.9Å; V24-C28 VanDerWaalsContact O-CB 3.24Å; V24-C28 WeakPolarHBondContact O-CB 3.17Å; V24-C28 PolarHBondContact O-N 3.5Å; V24-C28 PolarHBondContact O-SG 3.35Å |
| 25 | L | 86.3 | Confident | 79.6 | Confident | 106 Ų | 106 | 93.7 Ų | 93.7 | 56% | 0.555 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.4 | -39.5 | 177.9 | -71.2 | 175.6 | 0 | 0 | 0 | 112.2 | I21 I22 C28 R29 | I21-L25 HydrophobicContact CG2-CD1 3.77Å; I21-L25 HydrophobicContact CG2-CG 4.22Å; I21-L25 WeakPolarHBondContact O-CB 3.36Å; I21-L25 VanDerWaalsContact O-CG 3.23Å; I21-L25 WeakPolarHBondContact O-CG 3.34Å; I21-L25 PolarHBondContact O-N 2.82Å; I22-L25 PolarHBondContact O-N 2.82Å; L25-C28 PolarHBondContact O-N 3.36Å; L25-R29 VanDerWaalsContact O-CB 3.23Å; L25-R29 WeakPolarHBondContact O-CB 2.98Å; L25-R29 VanDerWaalsContact O-CG 3.25Å; L25-R29 WeakPolarHBondContact O-CG 3.41Å; L25-R29 PolarHBondContact O-N 3.01Å |
| 26 | C | 84.9 | Confident | 77.2 | Confident | 76 Ų | 76 | 96 Ų | 96 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 173.2 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | I22 R29 L30 | I22-C26 WeakPolarHBondContact O-CA 3.41Å; I22-C26 WeakPolarHBondContact O-CB 2.83Å; I22-C26 PolarHBondContact O-N 2.77Å; C26-R29 CarbonylContact O-C 3.56Å; C26-R29 PolarHBondContact O-N 3.38Å; C26-L30 WeakPolarHBondContact O-CA 3.45Å; C26-L30 WeakPolarHBondContact O-CB 3.47Å; C26-L30 PolarHBondContact O-N 3.27Å |
| 27 | Y | 79.4 | Confident | 74.4 | Confident | 138 Ų | 138 | 96.4 Ų | 96.4 | 54% | 0.541 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.2 | -32.3 | 177.3 | -175.4 | -107.9 | 0 | 0 | 0 | 112.9 | A23 V24 Q31 | A23-Y27 WeakPolarHBondContact O-CA 3.29Å; A23-Y27 WeakPolarHBondContact O-CB 3.15Å; A23-Y27 PolarHBondContact O-N 3.27Å; V24-Y27 CarbonylContact O-C 3.59Å; V24-Y27 PolarHBondContact O-N 2.9Å; Y27-Q31 HydrophobicContact CD1-CG 4.12Å; Y27-Q31 HydrophobicContact CD2-CG 4.5Å; Y27-Q31 HydrophobicContact CE1-CG 3.75Å; Y27-Q31 HydrophobicContact CE2-CG 4.11Å; Y27-Q31 HydrophobicContact CG-CG 4.5Å; Y27-Q31 WeakPolarHBondContact O-CA 2.89Å; Y27-Q31 WeakPolarHBondContact O-CB 3.48Å; Y27-Q31 VanDerWaalsContact O-CG 3.3Å; Y27-Q31 WeakPolarHBondContact O-CG 3.32Å; Y27-Q31 PolarHBondContact O-N 2.87Å; Y27-Q31 PolarHBondContact OH-NE2 3.26Å |
| 28 | C | 78.5 | Confident | 71.8 | Confident | 65 Ų | 65 | 95.2 Ų | 95.2 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74.3 | -33.7 | 172.8 | -70.6 | 0 | 0 | 0 | 0 | 111.1 | V24 L25 Y32 | V24-C28 VanDerWaalsContact O-CB 3.24Å; V24-C28 WeakPolarHBondContact O-CB 3.17Å; V24-C28 PolarHBondContact O-N 3.5Å; V24-C28 PolarHBondContact O-SG 3.35Å; L25-C28 PolarHBondContact O-N 3.36Å; C28-Y32 WeakPolarHBondContact O-CB 3.41Å; C28-Y32 PolarHBondContact O-N 3.31Å |
| 29 | R | 81.8 | Confident | 69.3 | Low | 149 Ų | 149 | 97.6 Ų | 97.6 | 56% | 0.562 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.3 | -46 | 169.1 | -79.7 | -71.4 | -172.1 | 172.7 | -0 | 110.2 | L25 C26 Y32 Y33 | L25-R29 VanDerWaalsContact O-CB 3.23Å; L25-R29 WeakPolarHBondContact O-CB 2.98Å; L25-R29 VanDerWaalsContact O-CG 3.25Å; L25-R29 WeakPolarHBondContact O-CG 3.41Å; L25-R29 PolarHBondContact O-N 3.01Å; C26-R29 CarbonylContact O-C 3.56Å; C26-R29 PolarHBondContact O-N 3.38Å; R29-Y32 CarbonylContact O-C 3.05Å; R29-Y32 WeakPolarHBondContact O-CA 3.47Å; R29-Y32 WeakPolarHBondContact O-CB 3.39Å; R29-Y32 PolarHBondContact O-N 3.35Å; R29-Y32 VanDerWaalsContact O-N 3.08Å; R29-Y33 HydrophobicContact CB-CD2 4.25Å; R29-Y33 HydrophobicContact CB-CE2 4.11Å; R29-Y33 WeakPolarHBondContact O-CB 3.27Å; R29-Y33 WeakPolarHBondContact O-CD2 3.12Å; R29-Y33 PolarHBondContact O-N 3.11Å |
| 30 | L | 63.7 | Low | 66.9 | Low | 93 Ų | 93 | 94.8 Ų | 94.8 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.4 | -44.5 | 179.2 | -157.2 | 74.4 | 0 | 0 | 0 | 109.1 | C26 Y32 Y33 C34 | C26-L30 WeakPolarHBondContact O-CA 3.45Å; C26-L30 WeakPolarHBondContact O-CB 3.47Å; C26-L30 PolarHBondContact O-N 3.27Å; L30-Y32 VanDerWaalsContact C-N 3.3Å; L30-Y32 PolarHBondContact O-N 2.87Å; L30-Y33 CarbonylContact O-C 3.27Å; L30-Y33 VanDerWaalsContact O-C 3.27Å; L30-Y33 WeakPolarHBondContact O-CA 3.34Å; L30-Y33 PolarHBondContact O-N 2.63Å; L30-C34 WeakPolarHBondContact O-CA 3.44Å; L30-C34 WeakPolarHBondContact O-CB 3.41Å; L30-C34 PolarHBondContact O-N 3.25Å; L30-C34 PolarHBondContact O-SG 3.06Å |
| 31 | Q | 57.5 | Low | 64.4 | Low | 84 Ų | 84 | 94.2 Ų | 94.2 | 39% | 0.393 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.7 | -34.7 | 167.8 | -80.4 | -167 | -8.6 | 0 | 0 | 112.7 | Y27 Y33 C35 | Y27-Q31 HydrophobicContact CD1-CG 4.12Å; Y27-Q31 HydrophobicContact CD2-CG 4.5Å; Y27-Q31 HydrophobicContact CE1-CG 3.75Å; Y27-Q31 HydrophobicContact CE2-CG 4.11Å; Y27-Q31 HydrophobicContact CG-CG 4.5Å; Y27-Q31 WeakPolarHBondContact O-CA 2.89Å; Y27-Q31 WeakPolarHBondContact O-CB 3.48Å; Y27-Q31 VanDerWaalsContact O-CG 3.3Å; Y27-Q31 WeakPolarHBondContact O-CG 3.32Å; Y27-Q31 PolarHBondContact O-N 2.87Å; Y27-Q31 PolarHBondContact OH-NE2 3.26Å; Q31-Y33 PolarHBondContact O-N 3.42Å; Q31-C35 WeakPolarHBondContact O-CA 3.42Å; Q31-C35 WeakPolarHBondContact O-CB 3.23Å; Q31-C35 PolarHBondContact O-N 2.98Å; Q31-C35 PolarHBondContact O-SG 3.23Å |
| 32 | Y | 61.2 | Low | 62 | Low | 143 Ų | 143 | 95.7 Ų | 95.7 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.8 | -27.7 | 171.5 | 176.7 | -93.2 | 0 | 0 | 0 | 112.2 | C28 R29 L30 K36 | C28-Y32 WeakPolarHBondContact O-CB 3.41Å; C28-Y32 PolarHBondContact O-N 3.31Å; R29-Y32 CarbonylContact O-C 3.05Å; R29-Y32 WeakPolarHBondContact O-CA 3.47Å; R29-Y32 WeakPolarHBondContact O-CB 3.39Å; R29-Y32 PolarHBondContact O-N 3.35Å; R29-Y32 VanDerWaalsContact O-N 3.08Å; L30-Y32 VanDerWaalsContact C-N 3.3Å; L30-Y32 PolarHBondContact O-N 2.87Å; Y32-K36 WeakPolarHBondContact O-CB 3.41Å |
| 33 | Y | 50.1 | Low | 59.8 | Low | 108 Ų | 108 | 97.4 Ų | 97.4 | 42% | 0.424 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -85.1 | -60.1 | 174.7 | -68.3 | -63.6 | 0 | 0 | 0 | 110.6 | R29 L30 Q31 C35 K36 K37 | R29-Y33 HydrophobicContact CB-CD2 4.25Å; R29-Y33 HydrophobicContact CB-CE2 4.11Å; R29-Y33 WeakPolarHBondContact O-CB 3.27Å; R29-Y33 WeakPolarHBondContact O-CD2 3.12Å; R29-Y33 PolarHBondContact O-N 3.11Å; L30-Y33 CarbonylContact O-C 3.27Å; L30-Y33 VanDerWaalsContact O-C 3.27Å; L30-Y33 WeakPolarHBondContact O-CA 3.34Å; L30-Y33 PolarHBondContact O-N 2.63Å; Q31-Y33 PolarHBondContact O-N 3.42Å; Y33-C35 PolarHBondContact O-N 3.25Å; Y33-K36 CarbonylContact O-C 3.55Å; Y33-K36 WeakPolarHBondContact O-CA 3.14Å; Y33-K36 VanDerWaalsContact O-CB 3.29Å; Y33-K36 WeakPolarHBondContact O-CB 3.35Å; Y33-K36 PolarHBondContact O-N 3.02Å; Y33-K37 VanDerWaalsContact O-CA 3.27Å; Y33-K37 WeakPolarHBondContact O-CA 3.3Å; Y33-K37 WeakPolarHBondContact O-CB 3.25Å; Y33-K37 PolarHBondContact O-N 2.84Å |
| 34 | C | 54 | Low | 57.9 | Low | 36 Ų | 36 | 100.9 Ų | 100.9 | 24% | 0.243 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -42.6 | -51 | 163.9 | -65.3 | 0 | 0 | 0 | 0 | 113.6 | L30 K36 K37 D38 | L30-C34 WeakPolarHBondContact O-CA 3.44Å; L30-C34 WeakPolarHBondContact O-CB 3.41Å; L30-C34 PolarHBondContact O-N 3.25Å; L30-C34 PolarHBondContact O-SG 3.06Å; C34-K36 PolarHBondContact O-N 3.41Å; C34-K37 CarbonylContact O-C 3.59Å; C34-K37 PolarHBondContact O-N 3.39Å; C34-D38 WeakPolarHBondContact CA-OD1 3.45Å; C34-D38 WeakPolarHBondContact CB-OD1 3.25Å; C34-D38 WeakPolarHBondContact CB-OD2 3.23Å; C34-D38 WeakPolarHBondContact O-CA 3.46Å; C34-D38 WeakPolarHBondContact O-CB 3.04Å; C34-D38 PolarHBondContact O-N 3.41Å |
| 35 | C | 48.1 | Very low | 55.7 | Low | 95 Ų | 95 | 104.8 Ų | 104.8 | 64% | 0.642 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.2 | -3.6 | 173.3 | -61.1 | 0 | 0 | 0 | 0 | 114.3 | Q31 Y33 | Q31-C35 WeakPolarHBondContact O-CA 3.42Å; Q31-C35 WeakPolarHBondContact O-CB 3.23Å; Q31-C35 PolarHBondContact O-N 2.98Å; Q31-C35 PolarHBondContact O-SG 3.23Å; Y33-C35 PolarHBondContact O-N 3.25Å |
| 36 | K | 42.9 | Very low | 53.6 | Low | 131 Ų | 131 | 106 Ų | 106 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -120.3 | -7.8 | 172.1 | 178.5 | 168 | 178.6 | 150 | 0 | 113.7 | Y32 Y33 C34 | Y32-K36 WeakPolarHBondContact O-CB 3.41Å; Y33-K36 CarbonylContact O-C 3.55Å; Y33-K36 WeakPolarHBondContact O-CA 3.14Å; Y33-K36 VanDerWaalsContact O-CB 3.29Å; Y33-K36 WeakPolarHBondContact O-CB 3.35Å; Y33-K36 PolarHBondContact O-N 3.02Å; C34-K36 PolarHBondContact O-N 3.41Å |
| 37 | K | 37.6 | Very low | 51.6 | Low | 83 Ų | 83 | 109.7 Ų | 109.7 | 36% | 0.361 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -133.9 | -19.7 | -165.9 | -176.7 | 158 | 159.1 | 67.9 | 0 | 110.1 | Y33 C34 E39 S40 D41 | Y33-K37 VanDerWaalsContact O-CA 3.27Å; Y33-K37 WeakPolarHBondContact O-CA 3.3Å; Y33-K37 WeakPolarHBondContact O-CB 3.25Å; Y33-K37 PolarHBondContact O-N 2.84Å; C34-K37 CarbonylContact O-C 3.59Å; C34-K37 PolarHBondContact O-N 3.39Å; K37-E39 PolarHBondContact O-N 3.34Å; K37-S40 WeakPolarHBondContact CA-OG 3.18Å; K37-S40 CarbonylContact O-C 3.3Å; K37-S40 VanDerWaalsContact O-C 3.3Å; K37-S40 WeakPolarHBondContact O-CA 3.11Å; K37-S40 PolarHBondContact O-N 2.7Å; K37-D41 VanDerWaalsContact CE-CG 3.48Å; K37-D41 WeakPolarHBondContact CE-OD1 3.41Å; K37-D41 WeakPolarHBondContact CE-OD2 3.26Å; K37-D41 HydrophobicContact CG-CB 3.83Å; K37-D41 WeakPolarHBondContact CG-OD2 3.45Å; K37-D41 IonicContact NZ-OD1 2.57Å; K37-D41 PolarHBondContact NZ-OD1 2.67Å; K37-D41 IonicContact NZ-OD2 2.96Å; K37-D41 PolarHBondContact NZ-OD2 2.65Å; K37-D41 WeakPolarHBondContact O-CA 3.37Å; K37-D41 WeakPolarHBondContact O-CB 3.26Å; K37-D41 PolarHBondContact O-N 3.13Å |
| 38 | D | 40.1 | Very low | 49.9 | Very low | 78 Ų | 78 | 111.8 Ų | 111.8 | 42% | 0.417 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -14.2 | 150.1 | -52.9 | -24.9 | 0 | 0 | 0 | 109.7 | C34 S40 | C34-D38 WeakPolarHBondContact CA-OD1 3.45Å; C34-D38 WeakPolarHBondContact CB-OD1 3.25Å; C34-D38 WeakPolarHBondContact CB-OD2 3.23Å; C34-D38 WeakPolarHBondContact O-CA 3.46Å; C34-D38 WeakPolarHBondContact O-CB 3.04Å; C34-D38 PolarHBondContact O-N 3.41Å; D38-S40 VanDerWaalsContact C-N 3.35Å |
| 39 | E | 42 | Very low | 48.2 | Very low | 150 Ų | 150 | 117 Ų | 117 | 70% | 0.701 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -7.7 | 162.3 | -66.5 | -178.3 | 147.4 | 0 | 0 | 113.3 | K37 | K37-E39 PolarHBondContact O-N 3.34Š|
| 40 | S | 41.7 | Very low | 46.2 | Very low | 51 Ų | 51 | 117 Ų | 117 | 36% | 0.357 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -149.8 | -2.9 | -168.6 | 79.8 | 0 | 0 | 0 | 0 | 118.2 | K37 D38 | K37-S40 WeakPolarHBondContact CA-OG 3.18Å; K37-S40 CarbonylContact O-C 3.3Å; K37-S40 VanDerWaalsContact O-C 3.3Å; K37-S40 WeakPolarHBondContact O-CA 3.11Å; K37-S40 PolarHBondContact O-N 2.7Å; D38-S40 VanDerWaalsContact C-N 3.35Å |
| 41 | D | 42 | Very low | 45.1 | Very low | 62 Ų | 62 | 121.6 Ų | 121.6 | 33% | 0.332 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.4 | -23.9 | 177.7 | -110.4 | 6.5 | 0 | 0 | 0 | 110.5 | K37 E43 E44 E45 | K37-D41 VanDerWaalsContact CE-CG 3.48Å; K37-D41 WeakPolarHBondContact CE-OD1 3.41Å; K37-D41 WeakPolarHBondContact CE-OD2 3.26Å; K37-D41 HydrophobicContact CG-CB 3.83Å; K37-D41 WeakPolarHBondContact CG-OD2 3.45Å; K37-D41 IonicContact NZ-OD1 2.57Å; K37-D41 PolarHBondContact NZ-OD1 2.67Å; K37-D41 IonicContact NZ-OD2 2.96Å; K37-D41 PolarHBondContact NZ-OD2 2.65Å; K37-D41 WeakPolarHBondContact O-CA 3.37Å; K37-D41 WeakPolarHBondContact O-CB 3.26Å; K37-D41 PolarHBondContact O-N 3.13Å; D41-E43 PolarHBondContact O-N 3.38Å; D41-E44 PolarHBondContact O-N 2.74Å; D41-E45 PolarHBondContact O-N 2.88Å |
| 42 | E | 43 | Very low | 44.4 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 58% | 0.579 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.9 | -20.4 | 167.7 | -61.7 | -172.3 | 176.8 | 0 | 0 | 110.9 | ||
| 43 | E | 45.7 | Very low | 43.2 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 61% | 0.607 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -74.9 | -27.8 | 171 | -65.6 | -178 | 167.6 | 0 | 0 | 112.4 | D41 E47 | D41-E43 PolarHBondContact O-N 3.38Å; E43-E47 WeakPolarHBondContact O-CG 3.4Å; E43-E47 PolarHBondContact O-N 2.82Å |
| 44 | E | 46.1 | Very low | 42.4 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 61% | 0.612 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -87.4 | -25.5 | -177.2 | -70.7 | -172.3 | -177 | 0 | 0 | 113.2 | D41 | D41-E44 PolarHBondContact O-N 2.74Å |
| 45 | E | 42.8 | Very low | 42.6 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -85.2 | -23.3 | 173.3 | -75 | -170.1 | 174.1 | 0 | 0 | 113.3 | D41 | D41-E45 PolarHBondContact O-N 2.88Å |
| 46 | E | 43.2 | Very low | 42 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 61% | 0.612 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -80.8 | -26.8 | 173.2 | -71.6 | -168.9 | 170.2 | 0 | 0 | 112.8 | E48 E49 E50 | E46-E48 VanDerWaalsContact C-N 3.32Å; E46-E48 PolarHBondContact O-N 3.49Å; E46-E49 PolarHBondContact O-N 3.48Å; E46-E50 PolarHBondContact O-N 2.74Å |
| 47 | E | 42 | Very low | 41.7 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 72% | 0.72 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -22 | 175.9 | -82.1 | -168 | -174 | 0 | 0 | 114.1 | E43 | E43-E47 WeakPolarHBondContact O-CG 3.4Å; E43-E47 PolarHBondContact O-N 2.82Å |
| 48 | E | 44.3 | Very low | 42.4 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 85% | 0.846 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -17.9 | 173.2 | -78.5 | -163.9 | 166.1 | 0 | 0 | 113.4 | E46 | E46-E48 VanDerWaalsContact C-N 3.32Å; E46-E48 PolarHBondContact O-N 3.49Å |
| 49 | E | 43.5 | Very low | 42.3 | Very low | 175 Ų | 175 | 140.2 Ų | 140.2 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -18.7 | 175.6 | -69.4 | -159.4 | 167.1 | 0 | 0 | 113.7 | E46 | E46-E49 PolarHBondContact O-N 3.48Š|
| 50 | E | 39.1 | Very low | 42.3 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 69% | 0.692 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -85.7 | 5.6 | -180 | -80.3 | -156.1 | 160.4 | 0 | 0 | 115.8 | E46 E52 | E46-E50 PolarHBondContact O-N 2.74Å; E50-E52 PolarHBondContact O-N 2.94Å |
| 51 | E | 39.7 | Very low | 42.4 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 89% | 0.893 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -74.4 | -1.7 | 174.2 | -138.1 | -173.4 | -176.5 | 0 | 0 | 113.6 | ||
| 52 | E | 42.8 | Very low | 42.4 | Very low | 187 Ų | 187 | 154.5 Ų | 154.5 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -110.4 | -6.9 | -178.5 | -69.4 | -138.2 | 158.4 | 0 | 0 | 117.8 | E50 | E50-E52 PolarHBondContact O-N 2.94Š|
| 53 | E | 37 | Very low | 42.5 | Very low | 189 Ų | 189 | 155.3 Ų | 155.3 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -149.3 | 102 | 176.9 | -112.5 | -171.5 | 141.3 | 0 | 0 | 115.1 | ||||
| 54 | E | 33.6 | Very low | 42.5 | Very low | 180 Ų | 180 | 152.6 Ų | 152.6 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | trans | -103.2 | 164.8 | 158.7 | -138.8 | -155.3 | 110.9 | 0 | 0 | 108.6 | ||||
| 55 | P | 57.7 | Low | 42.5 | Very low | 88 Ų | 88 | 151.8 Ų | 151.8 | 57% | 0.571 | 78% | 0.784 | S | S | * | * | cis | -127.1 | 166.2 | -23.8 | 13 | 11.7 | 0 | 0 | 0 | 112.2 | ||||
| 56 | D | 34.4 | Very low | 42.7 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | 154.7 | 124.8 | 121.2 | -102.8 | -34.1 | 0 | 0 | 0 | 114.5 | |||||
| 57 | L | 36.5 | Very low | 43.2 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 96.8 | 148.9 | 151.2 | -61.3 | 174.4 | 0 | 0 | 0 | 121.3 | ||||
| 58 | P | 53 | Low | 43.6 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | trans | -102.9 | 132.4 | -148.7 | 36.9 | -27.9 | 0 | 0 | 0 | 112.1 | ||||
| 59 | A | 38.2 | Very low | 43.8 | Very low | 93 Ų | 93 | 134.5 Ų | 134.5 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | trans | -158.8 | 90.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S61 | A59-S61 VanDerWaalsContact C-N 3.34Å; A59-S61 PolarHBondContact O-N 3.08Å | ||
| 60 | H | 42.1 | Very low | 44.1 | Very low | 198 Ų | 198 | 129.6 Ų | 129.6 | 92% | 0.917 | 70% | 0.702 | S | S | * | * | trans | -47.7 | 90.4 | 153.6 | -58.5 | -80.8 | 0 | 0 | 0 | 111.6 | ||||
| 61 | S | 43.7 | Very low | 44.4 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | trans | -171.8 | 42.2 | 156.7 | -143.4 | 0 | 0 | 0 | 0 | 115.1 | A59 | A59-S61 VanDerWaalsContact C-N 3.34Å; A59-S61 PolarHBondContact O-N 3.08Å | ||
| 62 | R | 42.6 | Very low | 44.8 | Very low | 254 Ų | 254 | 125.9 Ų | 125.9 | 96% | 0.958 | 68% | 0.684 | S | S | * | * | trans | -109.6 | 56.3 | 168.6 | -68 | -167.8 | -179 | -120.1 | 5.2 | 110.9 | G64 | R62-G64 PolarHBondContact O-N 2.73Š| ||
| 63 | L | 43.9 | Very low | 45.1 | Very low | 141 Ų | 141 | 123.6 Ų | 123.6 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | trans | -82.3 | 96.8 | 166.1 | -161.6 | 72.7 | 0 | 0 | 0 | 108.3 | T65 | L63-T65 PolarHBondContact O-N 3.35Š| ||
| 64 | G | 46.9 | Very low | 45.8 | Very low | 73 Ų | 73 | 120 Ų | 120 | 75% | 0.753 | 67% | 0.667 | S | S | * | * | trans | 26.5 | 84.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | R62 C66 | R62-G64 PolarHBondContact O-N 2.73Å; G64-C66 PolarHBondContact O-N 3.3Å | ||
| 65 | T | 45.3 | Very low | 46.4 | Very low | 114 Ų | 114 | 117.3 Ų | 117.3 | 70% | 0.699 | 66% | 0.658 | S | S | * | * | trans | -65.5 | 103.1 | 161.1 | 38.7 | 0 | 0 | 0 | 0 | 109.2 | L63 N67 | L63-T65 PolarHBondContact O-N 3.35Å; T65-N67 PolarHBondContact O-N 2.56Å | ||
| 66 | C | 47.4 | Very low | 46.2 | Very low | 38 Ų | 38 | 117 Ų | 117 | 26% | 0.257 | 67% | 0.671 | S | S | . | * | trans | -51.5 | 129.3 | 170.3 | 167 | 0 | 0 | 0 | 0 | 110.8 | G64 A68 C69 N70 C96 C99 | G64-C66 PolarHBondContact O-N 3.3Å; C66-A68 PolarHBondContact O-N 2.55Å; C66-A68 PolarHBondContact SG-N 2.75Å; C66-A68 VanDerWaalsContact SG-N 3.36Å; C66-C69 HydrophobicContact CB-CB 4.11Å; C66-C69 CarbonylContact O-C 3.42Å; C66-C69 WeakPolarHBondContact O-CA 3.22Å; C66-C69 WeakPolarHBondContact O-CB 3.27Å; C66-C69 PolarHBondContact O-N 2.57Å; C66-N70 PolarHBondContact O-N 2.59Å; C66-C96 HydrophobicContact CB-CB 4.09Å; C66-C99 PolarHBondContact SG-SG 3.41Å | ||
| 67 | N | 53.9 | Low | 46.5 | Very low | 143 Ų | 143 | 119.3 Ų | 119.3 | 77% | 0.765 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -54.9 | -26.5 | 178.5 | -78.2 | -31.9 | 0 | 0 | 0 | 114.1 | T65 | T65-N67 PolarHBondContact O-N 2.56Å |
| 68 | A | 50.1 | Low | 46.7 | Very low | 42 Ų | 42 | 115.2 Ų | 115.2 | 35% | 0.347 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -78.8 | -22.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | C66 S71 T98 | C66-A68 PolarHBondContact O-N 2.55Å; C66-A68 PolarHBondContact SG-N 2.75Å; C66-A68 VanDerWaalsContact SG-N 3.36Å; A68-S71 PolarHBondContact O-OG 2.96Å; A68-T98 HydrophobicContact CB-CG2 4.2Å |
| 69 | C | 48.9 | Very low | 45.9 | Very low | 47 Ų | 47 | 115.7 Ų | 115.7 | 32% | 0.318 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -85.3 | -26.2 | 173.4 | -91.2 | 0 | 0 | 0 | 0 | 110.8 | C66 C96 | C66-C69 HydrophobicContact CB-CB 4.11Å; C66-C69 CarbonylContact O-C 3.42Å; C66-C69 WeakPolarHBondContact O-CA 3.22Å; C66-C69 WeakPolarHBondContact O-CB 3.27Å; C66-C69 PolarHBondContact O-N 2.57Å; C69-C96 WeakPolarHBondContact CB-SG 3.35Å; C69-C96 WeakPolarHBondContact SG-CB 3.25Å; C69-C96 CovalentContact SG-SG 2.08Å; C69-C96 PolarHBondContact SG-SG 2.9Å |
| 70 | N | 48.1 | Very low | 46.1 | Very low | 73 Ų | 73 | 116.6 Ų | 116.6 | 39% | 0.39 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -70.6 | -37.6 | 179.1 | -163.5 | 6.3 | 0 | 0 | 0 | 113.5 | C66 R72 I73 V74 | C66-N70 PolarHBondContact O-N 2.59Å; N70-R72 VanDerWaalsContact C-N 3.26Å; N70-R72 PolarHBondContact O-N 3.47Å; N70-I73 PolarHBondContact O-N 3.43Å; N70-I73 VanDerWaalsContact O-N 3.12Å; N70-V74 PolarHBondContact O-N 2.96Å |
| 71 | S | 46.1 | Very low | 46.2 | Very low | 64 Ų | 64 | 111.7 Ų | 111.7 | 45% | 0.448 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -63.4 | -29.7 | 178.7 | 60.6 | 0 | 0 | 0 | 0 | 113.8 | A68 I73 V74 D75 | A68-S71 PolarHBondContact O-OG 2.96Å; S71-I73 VanDerWaalsContact C-N 3.31Å; S71-I73 PolarHBondContact O-N 2.76Å; S71-V74 PolarHBondContact O-N 3.38Å; S71-D75 PolarHBondContact O-N 3.2Å |
| 72 | R | 49.3 | Very low | 46.1 | Very low | 197 Ų | 197 | 111.9 Ų | 111.9 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.2 | -19 | 177 | -65.7 | -159 | -179.4 | -152.1 | 2.3 | 114.1 | N70 | N70-R72 VanDerWaalsContact C-N 3.26Å; N70-R72 PolarHBondContact O-N 3.47Å |
| 73 | I | 48.3 | Very low | 46.1 | Very low | 138 Ų | 138 | 104.8 Ų | 104.8 | 71% | 0.708 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -83.3 | -26 | 177.5 | -109.6 | 160.2 | 0 | 0 | 0 | 111.2 | N70 S71 | N70-I73 PolarHBondContact O-N 3.43Å; N70-I73 VanDerWaalsContact O-N 3.12Å; S71-I73 VanDerWaalsContact C-N 3.31Å; S71-I73 PolarHBondContact O-N 2.76Å |
| 74 | V | 51.5 | Low | 45.9 | Very low | 114 Ų | 114 | 103.6 Ų | 103.6 | 69% | 0.691 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -81.2 | -28.8 | 179 | 122.2 | 0 | 0 | 0 | 0 | 112.8 | N70 S71 G76 | N70-V74 PolarHBondContact O-N 2.96Å; S71-V74 PolarHBondContact O-N 3.38Å; V74-G76 PolarHBondContact O-N 2.93Å; V74-G76 VanDerWaalsContact O-N 3.12Å |
| 75 | D | 46.9 | Very low | 45.3 | Very low | 124 Ų | 124 | 107.7 Ų | 107.7 | 66% | 0.663 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -86.3 | 80 | 174.9 | -75.3 | -40.6 | 0 | 0 | 0 | 110.7 | S71 Q77 | S71-D75 PolarHBondContact O-N 3.2Å; D75-Q77 PolarHBondContact O-N 3.29Å |
| 76 | G | 53.4 | Low | 45.4 | Very low | 82 Ų | 82 | 110.5 Ų | 110.5 | 85% | 0.845 | 67% | 0.667 | S | S | * | * | trans | -58.7 | 92.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V74 | V74-G76 PolarHBondContact O-N 2.93Å; V74-G76 VanDerWaalsContact O-N 3.12Å | ||
| 77 | Q | 39.6 | Very low | 45.1 | Very low | 190 Ų | 190 | 116.8 Ų | 116.8 | 89% | 0.888 | 70% | 0.698 | S | S | * | * | trans | -136.6 | 114.2 | 166.4 | -156.4 | 158.2 | 2.4 | 0 | 0 | 109.9 | D75 | D75-Q77 PolarHBondContact O-N 3.29Š| ||
| 78 | G | 41.8 | Very low | 44.1 | Very low | 74 Ų | 74 | 116 Ų | 116 | 76% | 0.763 | 69% | 0.694 | S | S | * | * | trans | -72.2 | 162.5 | -160.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 79 | S | 35.8 | Very low | 43.7 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | trans | 90.1 | 151.6 | 157.1 | -155.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 80 | P | 43.1 | Very low | 43.1 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | cis | -108.9 | 155.5 | -35 | 32.4 | -18.1 | 0 | 0 | 0 | 111.5 | ||||
| 81 | A | 42.7 | Very low | 42.7 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 133.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 82 | P | 43 | Very low | 42.5 | Very low | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 148.3 | 162.9 | 30.1 | -29.4 | 0 | 0 | 0 | 109.8 | ||
| 83 | P | 41.2 | Very low | 42.2 | Very low | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -67 | 157.2 | -175.2 | 29.2 | -34.9 | 0 | 0 | 0 | 111.7 | N85 | P83-N85 PolarHBondContact O-N 3.38Š|
| 84 | P | 40 | Very low | 42.1 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | -72 | 100.3 | 176.4 | 30.7 | -30.5 | 0 | 0 | 0 | 108.1 | E86 | P84-E86 PolarHBondContact O-N 2.85Š| ||
| 85 | N | 36 | Very low | 41.8 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | trans | -76.9 | 84.7 | 164 | -102.8 | -21.2 | 0 | 0 | 0 | 107.7 | P83 | P83-N85 PolarHBondContact O-N 3.38Š| ||
| 86 | E | 45.7 | Very low | 41.9 | Very low | 172 Ų | 172 | 124.1 Ų | 124.1 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | -48.7 | 139.9 | 151.9 | -69.9 | -93.7 | 124.4 | 0 | 0 | 108.8 | P84 | P84-E86 PolarHBondContact O-N 2.85Š| ||
| 87 | L | 41.4 | Very low | 41.7 | Very low | 171 Ų | 171 | 125.2 Ų | 125.2 | 90% | 0.895 | 73% | 0.727 | S | S | * | * | trans | 92.4 | 73.7 | 167.4 | -148.2 | 81.2 | 0 | 0 | 0 | 117.4 | ||||
| 88 | N | 33.8 | Very low | 42.2 | Very low | 127 Ų | 127 | 120.1 Ų | 120.1 | 68% | 0.679 | 71% | 0.709 | S | S | * | * | -168.3 | 100.2 | 119.8 | -144.8 | -39.4 | 0 | 0 | 0 | 112.1 | Q90 | N88-Q90 PolarHBondContact O-N 2.86Å; N88-Q90 PolarHBondContact OD1-OE1 3.49Å | |||
| 89 | Q | 42 | Very low | 42.6 | Very low | 205 Ų | 205 | 120 Ų | 120 | 96% | 0.958 | 70% | 0.695 | S | S | * | * | trans | -78.3 | 54.6 | 173.1 | -73.3 | -132.8 | 91.8 | 0 | 0 | 112.6 | ||||
| 90 | Q | 35.9 | Very low | 43.2 | Very low | 168 Ų | 168 | 116.1 Ų | 116.1 | 79% | 0.785 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -132.8 | 92 | 174.1 | -89 | 157.2 | -5 | 0 | 0 | 110.7 | N88 | N88-Q90 PolarHBondContact O-N 2.86Å; N88-Q90 PolarHBondContact OD1-OE1 3.49Å |
| 91 | G | 38.7 | Very low | 43.6 | Very low | 58 Ų | 58 | 116 Ų | 116 | 60% | 0.598 | 67% | 0.668 | S | S | * | * | trans | 90.1 | 63.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | H93 | G91-H93 PolarHBondContact O-N 3.38Š| ||
| 92 | A | 42 | Very low | 44 | Very low | 89 Ų | 89 | 115.9 Ų | 115.9 | 74% | 0.736 | 65% | 0.647 | S | S | * | * | trans | -66.8 | 71.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | N94 | A92-N94 PolarHBondContact O-N 2.92Š| ||
| 93 | H | 44.2 | Very low | 44.5 | Very low | 132 Ų | 132 | 113.2 Ų | 113.2 | 61% | 0.611 | 64% | 0.641 | S | S | * | * | trans | -77.6 | 103.6 | 161.2 | -69.6 | -75.2 | 0 | 0 | 0 | 107.3 | G91 Y95 | G91-H93 PolarHBondContact O-N 3.38Å; H93-Y95 HydrophobicContact CB-CD2 3.48Å; H93-Y95 VanDerWaalsContact CB-CD2 3.48Å; H93-Y95 HydrophobicContact CB-CE2 3.22Å; H93-Y95 HydrophobicContact CB-CG 4.45Å; H93-Y95 AromaticContact CG-CE2 3.71Å; H93-Y95 PolarHBondContact O-N 2.97Å | ||
| 94 | N | 44.8 | Very low | 44.9 | Very low | 130 Ų | 130 | 111 Ų | 111 | 70% | 0.695 | 63% | 0.628 | S | S | * | * | trans | -70.2 | 61.8 | 178 | -62.9 | -56.2 | 0 | 0 | 0 | 111.1 | A92 | A92-N94 PolarHBondContact O-N 2.92Š| ||
| 95 | Y | 45.5 | Very low | 45.7 | Very low | 167 Ų | 167 | 111.5 Ų | 111.5 | 66% | 0.655 | 63% | 0.631 | S | S | * | * | trans | -84.6 | 119.5 | 172.5 | -62.2 | -60.1 | 0 | 0 | 0 | 109.3 | H93 | H93-Y95 HydrophobicContact CB-CD2 3.48Å; H93-Y95 VanDerWaalsContact CB-CD2 3.48Å; H93-Y95 HydrophobicContact CB-CE2 3.22Å; H93-Y95 HydrophobicContact CB-CG 4.45Å; H93-Y95 AromaticContact CG-CE2 3.71Å; H93-Y95 PolarHBondContact O-N 2.97Å | ||
| 96 | C | 49.4 | Very low | 46.6 | Very low | 19 Ų | 19 | 112.4 Ų | 112.4 | 13% | 0.128 | 63% | 0.628 | C | S | . | * | trans | -53.5 | 128.7 | 168 | 175.4 | 0 | 0 | 0 | 0 | 107.2 | C66 C69 T98 C99 S100 | C66-C96 HydrophobicContact CB-CB 4.09Å; C69-C96 WeakPolarHBondContact CB-SG 3.35Å; C69-C96 WeakPolarHBondContact SG-CB 3.25Å; C69-C96 CovalentContact SG-SG 2.08Å; C69-C96 PolarHBondContact SG-SG 2.9Å; C96-T98 PolarHBondContact O-N 3.41Å; C96-C99 HydrophobicContact CB-CB 4.21Å; C96-C99 PolarHBondContact O-N 3.3Å; C96-S100 PolarHBondContact O-N 2.86Å | ||
| 97 | P | 50.4 | Low | 47.4 | Very low | 105 Ų | 105 | 108.3 Ų | 108.3 | 68% | 0.682 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -23.2 | -174.2 | 20.4 | -31.4 | 0 | 0 | 0 | 112.9 | S100 | P97-S100 PolarHBondContact O-OG 2.81Š|
| 98 | T | 48.9 | Very low | 48.3 | Very low | 83 Ų | 83 | 107.1 Ų | 107.1 | 51% | 0.509 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.3 | -21 | 174.5 | -39.5 | 0 | 0 | 0 | 0 | 113.7 | A68 C96 | A68-T98 HydrophobicContact CB-CG2 4.2Å; C96-T98 PolarHBondContact O-N 3.41Å |
| 99 | C | 49.6 | Very low | 49.6 | Very low | 72 Ų | 72 | 109.3 Ų | 109.3 | 49% | 0.486 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.5 | 1 | -176.7 | -60.4 | 0 | 0 | 0 | 0 | 113.2 | C66 C96 | C66-C99 PolarHBondContact SG-SG 3.41Å; C96-C99 HydrophobicContact CB-CB 4.21Å; C96-C99 PolarHBondContact O-N 3.3Å |
| 100 | S | 49 | Very low | 50.3 | Low | 38 Ų | 38 | 103.6 Ų | 103.6 | 27% | 0.266 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -70.9 | 134.2 | 172.4 | 78.5 | 0 | 0 | 0 | 0 | 109.3 | C96 P97 Y102 G103 | C96-S100 PolarHBondContact O-N 2.86Å; P97-S100 PolarHBondContact O-OG 2.81Å; S100-Y102 PolarHBondContact O-N 3.33Å; S100-G103 PolarHBondContact O-N 3.36Å; S100-G103 VanDerWaalsContact O-N 3.1Å |
| 101 | P | 51 | Low | 51.2 | Low | 109 Ų | 109 | 99.6 Ų | 99.6 | 71% | 0.708 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -3.4 | 175.3 | 21.6 | -28.9 | 0 | 0 | 0 | 113.4 | ||
| 102 | Y | 50.7 | Low | 52 | Low | 93 Ų | 93 | 104.4 Ų | 104.4 | 37% | 0.365 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.7 | -1.3 | 177.6 | -76.8 | -105.2 | 0 | 0 | 0 | 114 | S100 S104 Y107 M113 | S100-Y102 PolarHBondContact O-N 3.33Å; Y102-S104 VanDerWaalsContact C-N 3.32Å; Y102-S104 PolarHBondContact O-N 2.78Å; Y102-Y107 AromaticContact CD1-CD1 3.43Å; Y102-Y107 HydrophobicContact CD1-CD1 3.43Å; Y102-Y107 VanDerWaalsContact CD1-CD1 3.43Å; Y102-Y107 AromaticContact CD1-CE1 3.03Å; Y102-Y107 HydrophobicContact CD1-CE1 3.03Å; Y102-Y107 HydrophobicContact CD1-CE2 4.25Å; Y102-Y107 HydrophobicContact CD1-CG 4.21Å; Y102-Y107 AromaticContact CD1-CZ 3.51Å; Y102-Y107 AromaticContact CE1-CD1 3.88Å; Y102-Y107 HydrophobicContact CE1-CD1 3.88Å; Y102-Y107 AromaticContact CE1-CE1 2.96Å; Y102-Y107 HydrophobicContact CE1-CE1 2.96Å; Y102-Y107 HydrophobicContact CE1-CE2 4.15Å; Y102-Y107 AromaticContact CE1-CZ 3.13Å; Y102-Y107 WeakPolarHBondContact CE1-OH 3.34Å; Y102-Y107 HydrophobicContact CG-CD1 4.16Å; Y102-Y107 AromaticContact CG-CE1 3.99Å; Y102-Y107 HydrophobicContact CG-CE1 3.99Å; Y102-Y107 AromaticContact CZ-CE1 3.83Å; Y102-Y107 AromaticContact CZ-CZ 3.48Å; Y102-Y107 VanDerWaalsContact CZ-CZ 3.48Å; Y102-Y107 PolarHBondContact OH-OH 2.82Å; Y102-M113 HydrophobicContact CD1-SD 4.21Å; Y102-M113 HydrophobicContact CE1-CE 4.12Å; Y102-M113 HydrophobicContact CE1-SD 3.33Å; Y102-M113 WeakPolarHBondContact CE1-SD 3.32Å; Y102-M113 HydrophobicContact CE2-CE 4.37Å; Y102-M113 VanDerWaalsContact CZ-SD 3.6Å |
| 103 | G | 54.6 | Low | 52.7 | Low | 59 Ų | 59 | 104.6 Ų | 104.6 | 61% | 0.608 | 57% | 0.571 | S | S | * | * | trans | -80.3 | -3.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.8 | S100 | S100-G103 PolarHBondContact O-N 3.36Å; S100-G103 VanDerWaalsContact O-N 3.1Å | ||
| 104 | S | 50 | Low | 53.3 | Low | 59 Ų | 59 | 102.9 Ų | 102.9 | 41% | 0.413 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -76.2 | 132.6 | 177.9 | 167.6 | 0 | 0 | 0 | 0 | 110.9 | Y102 F106 Y107 | Y102-S104 VanDerWaalsContact C-N 3.32Å; Y102-S104 PolarHBondContact O-N 2.78Å; S104-F106 PolarHBondContact O-N 2.71Å; S104-F106 PolarHBondContact OG-N 3.23Å; S104-Y107 WeakPolarHBondContact O-CB 3.37Å; S104-Y107 PolarHBondContact O-N 3.41Å |
| 105 | P | 56.6 | Low | 53.8 | Low | 125 Ų | 125 | 108 Ų | 108 | 81% | 0.812 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -7.8 | 175.6 | 27.1 | -33.3 | 0 | 0 | 0 | 113.3 | ||
| 106 | F | 54.9 | Low | 54.3 | Low | 180 Ų | 180 | 108.2 Ų | 108.2 | 79% | 0.789 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 3.5 | 174.3 | -59.3 | -77.2 | 0 | 0 | 0 | 113.4 | S104 I108 | S104-F106 PolarHBondContact O-N 2.71Å; S104-F106 PolarHBondContact OG-N 3.23Å; F106-I108 PolarHBondContact O-N 2.87Å |
| 107 | Y | 61.4 | Low | 54.7 | Low | 85 Ų | 85 | 110.6 Ų | 110.6 | 33% | 0.333 | 62% | 0.619 | S | S | . | * | trans | -76.1 | 108.6 | 178 | -170.9 | -87.5 | 0 | 0 | 0 | 110.5 | Y102 S104 R109 | Y102-Y107 AromaticContact CD1-CD1 3.43Å; Y102-Y107 HydrophobicContact CD1-CD1 3.43Å; Y102-Y107 VanDerWaalsContact CD1-CD1 3.43Å; Y102-Y107 AromaticContact CD1-CE1 3.03Å; Y102-Y107 HydrophobicContact CD1-CE1 3.03Å; Y102-Y107 HydrophobicContact CD1-CE2 4.25Å; Y102-Y107 HydrophobicContact CD1-CG 4.21Å; Y102-Y107 AromaticContact CD1-CZ 3.51Å; Y102-Y107 AromaticContact CE1-CD1 3.88Å; Y102-Y107 HydrophobicContact CE1-CD1 3.88Å; Y102-Y107 AromaticContact CE1-CE1 2.96Å; Y102-Y107 HydrophobicContact CE1-CE1 2.96Å; Y102-Y107 HydrophobicContact CE1-CE2 4.15Å; Y102-Y107 AromaticContact CE1-CZ 3.13Å; Y102-Y107 WeakPolarHBondContact CE1-OH 3.34Å; Y102-Y107 HydrophobicContact CG-CD1 4.16Å; Y102-Y107 AromaticContact CG-CE1 3.99Å; Y102-Y107 HydrophobicContact CG-CE1 3.99Å; Y102-Y107 AromaticContact CZ-CE1 3.83Å; Y102-Y107 AromaticContact CZ-CZ 3.48Å; Y102-Y107 VanDerWaalsContact CZ-CZ 3.48Å; Y102-Y107 PolarHBondContact OH-OH 2.82Å; S104-Y107 WeakPolarHBondContact O-CB 3.37Å; S104-Y107 PolarHBondContact O-N 3.41Å; Y107-R109 HydrophobicContact CE1-CB 4.37Å; Y107-R109 PolarHBondContact O-N 2.95Å | ||
| 108 | I | 60.2 | Low | 55.2 | Low | 146 Ų | 146 | 108.8 Ų | 108.8 | 75% | 0.749 | 62% | 0.62 | S | S | * | * | trans | -81.5 | 108.7 | 171.9 | -62.2 | 166.7 | 0 | 0 | 0 | 107.4 | F106 T110 | F106-I108 PolarHBondContact O-N 2.87Å; I108-T110 PolarHBondContact O-N 3.47Å | ||
| 109 | R | 61.5 | Low | 55.4 | Low | 173 Ų | 173 | 113 Ų | 113 | 65% | 0.653 | 63% | 0.633 | S | S | * | * | trans | -63.1 | 105.8 | 173 | -151.1 | -175.5 | -155.4 | 167.1 | 6.1 | 109.1 | Y107 M113 | Y107-R109 HydrophobicContact CE1-CB 4.37Å; Y107-R109 PolarHBondContact O-N 2.95Å; R109-M113 HydrophobicContact CG-CB 4.05Å | ||
| 110 | T | 58.1 | Low | 55.9 | Low | 86 Ų | 86 | 120.4 Ų | 120.4 | 53% | 0.528 | 65% | 0.651 | S | S | . | * | trans | -63.6 | 145.7 | 172.9 | 25.7 | 0 | 0 | 0 | 0 | 109.7 | I108 D112 M113 | I108-T110 PolarHBondContact O-N 3.47Å; T110-D112 PolarHBondContact O-N 2.85Å; T110-M113 PolarHBondContact O-N 3.28Å; T110-M113 VanDerWaalsContact O-N 3.11Å | ||
| 111 | A | 54.2 | Low | 56.3 | Low | 84 Ų | 84 | 125 Ų | 125 | 69% | 0.694 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -56.4 | -12 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | M113 V114 | A111-M113 VanDerWaalsContact C-N 3.26Å; A111-M113 PolarHBondContact O-N 3.43Å; A111-V114 PolarHBondContact O-N 3.07Å |
| 112 | D | 55.2 | Low | 56.4 | Low | 159 Ų | 159 | 125.5 Ų | 125.5 | 85% | 0.85 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -68.6 | -19.2 | 177 | -160.6 | 42.4 | 0 | 0 | 0 | 113.8 | T110 | T110-D112 PolarHBondContact O-N 2.85Š|
| 113 | M | 55.6 | Low | 56.3 | Low | 93 Ų | 93 | 130.9 Ų | 130.9 | 46% | 0.458 | 69% | 0.694 | S | S | . | * | G | 310 helix | trans | -94.4 | -3.7 | 175.4 | -85.5 | -152.7 | 148.5 | 0 | 0 | 114.7 | Y102 R109 T110 A111 R115 | Y102-M113 HydrophobicContact CD1-SD 4.21Å; Y102-M113 HydrophobicContact CE1-CE 4.12Å; Y102-M113 HydrophobicContact CE1-SD 3.33Å; Y102-M113 WeakPolarHBondContact CE1-SD 3.32Å; Y102-M113 HydrophobicContact CE2-CE 4.37Å; Y102-M113 VanDerWaalsContact CZ-SD 3.6Å; R109-M113 HydrophobicContact CG-CB 4.05Å; T110-M113 PolarHBondContact O-N 3.28Å; T110-M113 VanDerWaalsContact O-N 3.11Å; A111-M113 VanDerWaalsContact C-N 3.26Å; A111-M113 PolarHBondContact O-N 3.43Å; M113-R115 PolarHBondContact O-N 3.43Å |
| 114 | V | 56.8 | Low | 56.2 | Low | 96 Ų | 96 | 133.7 Ų | 133.7 | 58% | 0.582 | 70% | 0.699 | S | S | * | * | trans | -89.3 | 95.9 | 173.4 | -144.4 | 0 | 0 | 0 | 0 | 105.8 | A111 N116 | A111-V114 PolarHBondContact O-N 3.07Å; V114-N116 PolarHBondContact O-N 2.86Å; V114-N116 VanDerWaalsContact O-N 3.14Å | ||
| 115 | R | 55.4 | Low | 55.8 | Low | 236 Ų | 236 | 136.3 Ų | 136.3 | 89% | 0.891 | 72% | 0.715 | S | S | * | * | trans | -54.2 | 128 | 161.8 | -70.6 | -163.6 | 177.1 | -165.4 | 1.7 | 105.9 | M113 G117 | M113-R115 PolarHBondContact O-N 3.43Å; R115-G117 PolarHBondContact O-N 2.97Å | ||
| 116 | N | 56.2 | Low | 55.2 | Low | 173 Ų | 173 | 136.5 Ų | 136.5 | 93% | 0.925 | 71% | 0.714 | S | S | * | * | trans | -59.4 | 81.5 | 170.7 | -92.6 | -50.2 | 0 | 0 | 0 | 108.7 | V114 G118 | V114-N116 PolarHBondContact O-N 2.86Å; V114-N116 VanDerWaalsContact O-N 3.14Å; N116-G118 PolarHBondContact O-N 3.4Å; N116-G118 VanDerWaalsContact O-N 3.07Å | ||
| 117 | G | 58.9 | Low | 54.6 | Low | 68 Ų | 68 | 134.5 Ų | 134.5 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | trans | -79.8 | 79.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | R115 E119 | R115-G117 PolarHBondContact O-N 2.97Å; G117-E119 PolarHBondContact O-N 2.9Å | ||
| 118 | G | 60.6 | Low | 53.4 | Low | 67 Ų | 67 | 140.9 Ų | 140.9 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | trans | -64.7 | 84.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | N116 R120 | N116-G118 PolarHBondContact O-N 3.4Å; N116-G118 VanDerWaalsContact O-N 3.07Å; G118-R120 PolarHBondContact O-N 3.48Å | ||
| 119 | E | 53.5 | Low | 52.2 | Low | 171 Ų | 171 | 142.4 Ų | 142.4 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | trans | -61.7 | 115.2 | 169.9 | -170.6 | 173.1 | -177.2 | 0 | 0 | 107.9 | G117 I121 | G117-E119 PolarHBondContact O-N 2.9Å; E119-I121 VanDerWaalsContact C-N 3.3Å; E119-I121 PolarHBondContact O-N 3.27Å | ||
| 120 | R | 58.7 | Low | 51.2 | Low | 228 Ų | 228 | 141.3 Ų | 141.3 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | -75.5 | 85.8 | -178.5 | -54.5 | 175.7 | -176.3 | -130.4 | 0.3 | 107.8 | G118 T122 | G118-R120 PolarHBondContact O-N 3.48Å; R120-T122 PolarHBondContact O-N 2.93Å | ||
| 121 | I | 57.4 | Low | 50.1 | Low | 136 Ų | 136 | 145.8 Ų | 145.8 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | trans | -64.7 | 100.5 | 171.1 | -55.7 | 166.8 | 0 | 0 | 0 | 106.9 | E119 Y123 | E119-I121 VanDerWaalsContact C-N 3.3Å; E119-I121 PolarHBondContact O-N 3.27Å; I121-Y123 HydrophobicContact CG2-CD2 3.95Å; I121-Y123 HydrophobicContact CG2-CE2 4.4Å; I121-Y123 PolarHBondContact O-N 3.29Å; I121-Y123 VanDerWaalsContact O-N 3.16Å | ||
| 122 | T | 53.4 | Low | 49.1 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | -79.6 | 94.7 | 175.4 | -58.8 | 0 | 0 | 0 | 0 | 107.7 | R120 T124 | R120-T122 PolarHBondContact O-N 2.93Å; T122-T124 PolarHBondContact O-N 3.45Å | ||
| 123 | Y | 48.2 | Very low | 48.5 | Very low | 207 Ų | 207 | 146.7 Ų | 146.7 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -77 | 113.9 | 168.8 | -116.7 | -96.2 | 0 | 0 | 0 | 108.5 | I121 P125 | I121-Y123 HydrophobicContact CG2-CD2 3.95Å; I121-Y123 HydrophobicContact CG2-CE2 4.4Å; I121-Y123 PolarHBondContact O-N 3.29Å; I121-Y123 VanDerWaalsContact O-N 3.16Å; Y123-P125 WeakPolarHBondContact O-CD 3.19Å | ||
| 124 | T | 52.5 | Low | 48.2 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | trans | -91.6 | 99.8 | 165 | 39.6 | 0 | 0 | 0 | 0 | 108.5 | T122 T126 | T122-T124 PolarHBondContact O-N 3.45Å; T124-T126 PolarHBondContact O-N 3.46Å | ||
| 125 | P | 42.7 | Very low | 47.5 | Very low | 113 Ų | 113 | 151 Ų | 151 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -70 | 119.3 | 171.9 | 27.9 | -31.1 | 0 | 0 | 0 | 108.7 | Y123 | Y123-P125 WeakPolarHBondContact O-CD 3.19Š| ||
| 126 | T | 42.9 | Very low | 46.7 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | -56.4 | 142.9 | 170.3 | 38.3 | 0 | 0 | 0 | 0 | 110.8 | T124 | T124-T126 PolarHBondContact O-N 3.46Š| ||
| 127 | C | 44.2 | Very low | 46.2 | Very low | 138 Ų | 138 | 144.8 Ų | 144.8 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | trans | -39.6 | 130.7 | -178.5 | -74.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 128 | Y | 36.2 | Very low | 45.3 | Very low | 219 Ų | 219 | 146 Ų | 146 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -124.3 | 137.1 | 144.7 | 65.5 | -90.6 | 0 | 0 | 0 | 110.2 | ||||
| 129 | K | 35 | Very low | 44.3 | Very low | 178 Ų | 178 | 148.7 Ų | 148.7 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | trans | -83.1 | 126.8 | -168.8 | 173.1 | 177.1 | 174.3 | 174.1 | 0 | 110.3 | ||||
| 130 | E | 39.5 | Very low | 44 | Very low | 150 Ų | 150 | 147.7 Ų | 147.7 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | 60.4 | 119 | 134.5 | -155.4 | 170.9 | -178.4 | 0 | 0 | 120.4 | ||||
| 131 | M | 34.6 | Very low | 43.2 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | 135.9 | 115.4 | 122.5 | -155.8 | 65.8 | 175.5 | 0 | 0 | 113.5 | |||||
| 132 | G | 33.3 | Very low | 42.3 | Very low | 74 Ų | 74 | 144.4 Ų | 144.4 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | 143.9 | 112.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 133 | Q | 42.4 | Very low | 41.7 | Very low | 189 Ų | 189 | 148.5 Ų | 148.5 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -59.4 | 163.4 | -172.9 | -93.1 | 177.1 | -60.3 | 0 | 0 | 117.4 | ||||
| 134 | P | 49.8 | Very low | 41.6 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -92 | 133.2 | -170.9 | 36.1 | -29.8 | 0 | 0 | 0 | 111.7 | ||||
| 135 | I | 42.9 | Very low | 41.6 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -136.7 | 113.2 | 172.6 | -55.6 | 179.9 | 0 | 0 | 0 | 111.1 | ||||
| 136 | S | 37.4 | Very low | 41.5 | Very low | 98 Ų | 98 | 144.2 Ų | 144.2 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | trans | 61 | 94.9 | 145.5 | -163.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 137 | M | 45.8 | Very low | 41.7 | Very low | 182 Ų | 182 | 148 Ų | 148 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | 60.7 | 91.8 | 85 | -57.4 | -105.3 | -169.9 | 0 | 0 | 113.7 | |||||
| 138 | A | 39.5 | Very low | 41.6 | Very low | 94 Ų | 94 | 150.3 Ų | 150.3 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -126.2 | 85.8 | 144.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 139 | T | 41.3 | Very low | 41.8 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 23.5 | 103.6 | 138 | 8.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 140 | L | 45.6 | Very low | 41.9 | Very low | 149 Ų | 149 | 141 Ų | 141 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | 65.7 | 100 | 92.2 | -139.2 | 165.6 | 0 | 0 | 0 | 111.7 | |||||
| 141 | Q | 42.2 | Very low | 41.7 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | -169.5 | 102.6 | 122.9 | -103.6 | 179.6 | 7.8 | 0 | 0 | 111.8 | |||||
| 142 | S | 38.4 | Very low | 42.1 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -56.7 | 131.1 | 148.6 | -57.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 143 | Y | 41.5 | Very low | 42.7 | Very low | 204 Ų | 204 | 149.2 Ų | 149.2 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | 36.5 | 140.5 | 145 | -101.9 | -103 | 0 | 0 | 0 | 120.1 | V145 | Y143-V145 HydrophobicContact CE1-CG2 4.35Š| ||
| 144 | P | 46.6 | Very low | 42.6 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | -150.4 | 157.6 | 82.7 | 36.9 | -17.4 | 0 | 0 | 0 | 117.2 | S146 | P144-S146 PolarHBondContact O-N 3.09Š| |||
| 145 | V | 51.8 | Low | 42.6 | Very low | 122 Ų | 122 | 149.7 Ų | 149.7 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | trans | -53.5 | 122.5 | 149.1 | 159.8 | 0 | 0 | 0 | 0 | 107.9 | Y143 | Y143-V145 HydrophobicContact CE1-CG2 4.35Š| ||
| 146 | S | 40.3 | Very low | 42.9 | Very low | 111 Ų | 111 | 147.8 Ų | 147.8 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -141.4 | 125.2 | 158.4 | -158.9 | 0 | 0 | 0 | 0 | 111.8 | P144 | P144-S146 PolarHBondContact O-N 3.09Š| ||
| 147 | R | 47 | Very low | 43.1 | Very low | 211 Ų | 211 | 149.7 Ų | 149.7 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | trans | -66.3 | 149.8 | 169.8 | -76.8 | -175.6 | 179.7 | -168.2 | 1.1 | 110.6 | ||||
| 148 | H | 43.2 | Very low | 43.5 | Very low | 186 Ų | 186 | 146.4 Ų | 146.4 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | 81 | 121.6 | 152.8 | -76.4 | 49.4 | 0 | 0 | 0 | 120.5 | ||||
| 149 | G | 38.8 | Very low | 43.9 | Very low | 70 Ų | 70 | 153 Ų | 153 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 165.2 | 142.2 | 131.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 150 | V | 37.8 | Very low | 44.6 | Very low | 130 Ų | 130 | 151.5 Ų | 151.5 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | cis | -172.7 | 154.7 | -1.3 | 151.3 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 151 | F | 35.6 | Very low | 44.9 | Very low | 180 Ų | 180 | 151.3 Ų | 151.3 | 79% | 0.789 | 79% | 0.791 | S | S | * | * | trans | 77.6 | 132.5 | 164.4 | -107.7 | -125.8 | 0 | 0 | 0 | 117.4 | ||||
| 152 | R | 44 | Very low | 45.3 | Very low | 210 Ų | 210 | 147.3 Ų | 147.3 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | cis | -161.8 | 138.4 | 19.6 | -160.5 | -176 | -168.4 | -159.6 | 2 | 109.7 | ||||
| 153 | E | 45.2 | Very low | 46.2 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -54.2 | 129.3 | 166.4 | -138.1 | 96.6 | -176.3 | 0 | 0 | 111.8 | ||||
| 154 | S | 39.8 | Very low | 46.2 | Very low | 105 Ų | 105 | 146.5 Ų | 146.5 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | 177 | 103.8 | 140.5 | 58 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 155 | F | 49.6 | Very low | 45.8 | Very low | 210 Ų | 210 | 151.2 Ų | 151.2 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -110.6 | 134.1 | 142.2 | -68.5 | -79.4 | 0 | 0 | 0 | 105.5 | ||||
| 156 | P | 50.7 | Low | 45.5 | Very low | 122 Ų | 122 | 152.7 Ų | 152.7 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | -150.3 | 158.6 | 86 | 36.5 | -17.5 | 0 | 0 | 0 | 115.8 | |||||
| 157 | N | 40 | Very low | 45.8 | Very low | 137 Ų | 137 | 154.9 Ų | 154.9 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | 133.4 | 121.4 | 127.2 | -157 | -47.3 | 0 | 0 | 0 | 114.6 | |||||
| 158 | P | 54.6 | Low | 45.7 | Very low | 114 Ų | 114 | 151.8 Ų | 151.8 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | trans | -76.8 | 118.5 | 171.7 | 33 | -33.3 | 0 | 0 | 0 | 110.7 | A160 | P158-A160 PolarHBondContact O-N 3.02Š| ||
| 159 | R | 48.7 | Very low | 45.9 | Very low | 231 Ų | 231 | 149.8 Ų | 149.8 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | trans | -77.2 | 97.1 | 172.9 | -145.3 | 176.4 | -149.3 | 164 | 5.3 | 109.7 | I161 | R159-I161 HydrophobicContact CG-CG1 4.5Š| ||
| 160 | A | 54.8 | Low | 46.3 | Very low | 93 Ų | 93 | 154.8 Ų | 154.8 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -57.2 | 128.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | P158 | P158-A160 PolarHBondContact O-N 3.02Š| ||
| 161 | I | 52.8 | Low | 46.9 | Very low | 144 Ų | 144 | 156.4 Ų | 156.4 | 74% | 0.738 | 82% | 0.821 | S | S | * | * | trans | -131.3 | 107.3 | 160.8 | -68.8 | 171.9 | 0 | 0 | 0 | 107 | R159 | R159-I161 HydrophobicContact CG-CG1 4.5Š| ||
| 162 | S | 49.4 | Very low | 47.7 | Very low | 101 Ų | 101 | 154.7 Ų | 154.7 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | trans | -79.7 | 132.9 | 155.9 | 176.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 163 | T | 57.9 | Low | 48 | Very low | 117 Ų | 117 | 150.5 Ų | 150.5 | 72% | 0.718 | 83% | 0.826 | S | S | * | * | 159.9 | 128.5 | 122.5 | 49.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 164 | E | 42.1 | Very low | 48.2 | Very low | 181 Ų | 181 | 147.4 Ų | 147.4 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | 68.1 | 108.1 | 136.5 | -160.8 | 179.6 | 164.7 | 0 | 0 | 120.3 | ||||
| 165 | V | 38.4 | Very low | 49 | Very low | 214 Ų | 214 | 151.3 Ų | 151.3 | 100% | 1.297 | 83% | 0.83 | S | S | * | * | -148 | 0 | 108.4 | 177.2 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 165 of 165 residues in 71.2 ms
(Link to these results)